Information card for entry 1552702

Structure parameters

• Formula: C15 H16 O3
• Calculated formula: C15 H16 O3
• SMILES: O=C(O)c1cc2c3c(occ3CC[C@@H]2C(C)C)c1
• Title of publication: Trichocadinins B-G: Antimicrobial Cadinane Sesquiterpenes from <i>Trichoderma virens</i> QA-8, an Endophytic Fungus Obtained from the Medicinal Plant <i>Artemisia argyi</i>.
• Authors of publication: Shi, Xiao-Shan; Meng, Ling-Hong; Li, Xiao-Ming; Li, Xin; Wang, Dun-Jia; Li, Hong-Lei; Zhou, Xing-Wang; Wang, Bin-Gui
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 9
• Pages of publication: 2470 - 2476
• a: 17.155 ± 0.0003 Å
• b: 17.155 ± 0.0003 Å
• c: 35.3313 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10397.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.1391
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No